N-羟基-异丁酰胺

N-羟基-异丁酰胺 基本信息
CAS号 35613-84-4 分子式 C4H10N2O
分子量 102.13500 精确质量  102.07900
PSA  58.61000 LogP  1.08910

等价的CAS号:

849833-56-3,35613-84-4,1202858-97-6

基本信息 展开↓

CAS号:
35613-84-4
3D弹球模型:
立即前往扯扯看
分子式:
C4H10N2O
分子量:
102.13500
中文名称:
N-羟基-异丁酰胺
英文名称:
N-Hydroxyisobutyramidine
中文别名:
N-羟基-异丁酰胺;
异丁脒肟;
N'-羟基-2-甲基法莫替丁
英文别名:
N-Hydroxyisobutyramidine;
N'-hydroxyisobutyrimidamide;
N-Hydroxyisobutanamidine;
N'-hydroxy-2-methylpropanimidamide;
Isobutyramidoxime;
N-hydroxy-2-methylpropionamide;
Isobutanamidoxime;
N-hydroxy-isobutyramidine;
N-hydroxyisopropylamidine;
N-Hydroxyisobutyrimidamide;
N'-Hydroxy-2-methylpropaneimideamide;
Isopropylcarboxamide oxime;
Isobutyramide oxime
精确分子量/精确质量:
102.07900
极性分子表面积/PSA:
58.61000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00464225
InChI:
InChI=1/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)

物化性质展开↓

密度:
1.09g/cm3
熔点:
60ºC
沸点:
207.2ºC at 760 mmHg
闪点:
79.1ºC
折射率:
1.477
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

 

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

                                                

其它信息:

1.       性状:晶体

2.       密度(g/mL,25ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):未确定

5.       沸点(ºC):未确定

6.       沸点(ºC0.3mm hg):未确定

7.       折射率:未确定

8.       闪点(°C):未确定

9.       比旋光度(ºC):未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,20ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2925290090
危险标志:
Xi

合成路线查看所有的合成路线

  • 78-82-0

    异丁腈

  • ~97%

  • 35613-84-4

    N-羟基-异丁酰胺

  • 849833-56-3

  • 35613-84-4

    N-羟基-异丁酰胺

毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: N -Hydroxy-2-methylpropanimidamide Material Safety Data Sheet
Synonym:
CAS: 35613-84-4
Section 1 - Chemical Product   MSDS Name:N -Hydroxy-2-methylpropanimidamide Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
35613-84-4 N'-Hydroxy-2-methylpropanimidamide 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38 44

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin. Risk of explosion if heated under confinement.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Violently decomposes when heated under confinement.
Risk of explosion if heated under confinement.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35613-84-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 60 - 61 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H10N2O
Molecular Weight: 102.14

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 35613-84-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N'-Hydroxy-2-methylpropanimidamide - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
R 44 Risk of explosion if heated under confinement.
Safety Phrases:
S 15 Keep away from heat.
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 35613-84-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35613-84-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35613-84-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2925290090

概述:
2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1、   疏水参数计算参考值(XlogP):0.4

2、   氢键供体数量:2

3、   氢键受体数量:3

4、   可旋转化学键数量:1

5、   拓扑分子极性表面积(TPSA):58.6

6、   重原子数量:7

7、   表面电荷:0

8、   复杂度:77.8

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:1

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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